2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-2-methylpropan-1-one;hydrochloride

C11H23ClN2O2 — CID 119322528

IUPAC2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-2-methylpropan-1-one;hydrochloride
SMILESCOCC1CCCN(C(=O)C(C)(C)N)C1.Cl
InChIInChI=1S/C11H22N2O2.ClH/c1-11(2,12)10(14)13-6-4-5-9(7-13)8-15-3;/h9H,4-8,12H2,1-3H3;1H
InChIKeyLTJXYBUAMFZWJG-UHFFFAOYSA-N
MW250.77 g/mol
LogP1.03
Rot. Bonds3

About 2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-2-methylpropan-1-one;hydrochloride

2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-2-methylpropan-1-one;hydrochloride (PubChem CID 119322528) has the molecular formula C11H23ClN2O2 and a molecular weight of 250.77 g/mol. Its IUPAC name is 2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-2-methylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-2-methylpropan-1-one;hydrochloride
PubChem CID119322528
Molecular FormulaC11H23ClN2O2
Molecular Weight250.77 g/mol
Exact Mass250.14
IUPAC Name2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-2-methylpropan-1-one;hydrochloride
SMILESCOCC1CCCN(C(=O)C(C)(C)N)C1.Cl
InChIInChI=1S/C11H22N2O2.ClH/c1-11(2,12)10(14)13-6-4-5-9(7-13)8-15-3;/h9H,4-8,12H2,1-3H3;1H
InChIKeyLTJXYBUAMFZWJG-UHFFFAOYSA-N
XLogP1.03
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.77
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methylpropan-1-one;hydrochloride
CID 119322639
2-amino-2-ethyl-1-[3-(methoxymethyl)piperidin-1-yl]butan-1-one
CID 106586761
2-amino-2-cyclopropyl-1-[3-(methoxymethyl)piperidin-1-yl]propan-1-one
CID 103821153
2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-2-phenylpropan-1-one
CID 106586749
2-amino-2-methyl-1-(3-methylpiperidin-1-yl)propan-1-one;hydrochloride
CID 53409021
(2S)-2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-3,3-dimethylbutan-1-one
CID 103810680
3-amino-1-[3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 64569299
3-(methoxymethyl)azepane-1-carboxamide
CID 130671584
2-bromo-1-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 114328777
azepan-1-yl-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 106586477
2-amino-1-(3-hydroxypiperidin-1-yl)-2-methylpropan-1-one
CID 61264597
3-amino-2-methoxy-1-[3-(methoxymethyl)piperidin-1-yl]propan-1-one
CID 106114088

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-2-methylpropan-1-one;hydrochloride?
The IUPAC name of 2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-2-methylpropan-1-one;hydrochloride (CID 119322528) is 2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-2-methylpropan-1-one;hydrochloride.
What is the SMILES notation for 2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-2-methylpropan-1-one;hydrochloride?
The canonical SMILES for 2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-2-methylpropan-1-one;hydrochloride is COCC1CCCN(C(=O)C(C)(C)N)C1.Cl.
What is the InChIKey of 2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-2-methylpropan-1-one;hydrochloride?
The InChIKey is LTJXYBUAMFZWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2.ClH/c1-11(2,12)10(14)13-6-4-5-9(7-13)8-15-3;/h9H,4-8,12H2,1-3H3;1H.
What are the key properties of 2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-2-methylpropan-1-one;hydrochloride?
2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-2-methylpropan-1-one;hydrochloride has a molecular weight of 250.77 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-2-methylpropan-1-one;hydrochloride is sourced from PubChem (CID 119322528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).